Assume you have a drug nebivolol. When nebivolol is used as beta1 selective drug, beta2 is mostly for side effects, but this is not clear from PubChem. I do not know any cases where nebivolol is used as beta1 and beta2 selective in the treatment.

Its first two pathways of interaction from PubChem.

Assume this pathway to be selective for some indication

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and this nonselective (where side-effects stems mostly with large doses)

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There no such differences in this section. No explanations when side-effects come in each case of treatment plan (dose).

How can you understand side-effects of this adrenoblocker from selective beta1 pathway in PubChem? Like in which cases beta2 selection becomes possible when beta1 is selective. When beta2 is nonselective when beta1 is kept selective?

In other words, how can you read pharmacodynamics of this adrenoblocker in PubChem? I.e. what the drug does to the body at any given dose. I think there is little pieces of informations about it.

Implicitly, the side-effect can be read from Mechanism of Action:

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where it refers at high doses to bronchospasm. However, I would refer explicit discussion about side-effects and what we are trying to find and what are suspected as side-effects.

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    $\begingroup$ I don't understand the question. If you're talking about clinical effects, the distinction between "effects" and "side effects" depends on patient characteristics and the goal of therapy, so it would not be possible to differentiate these in a chemical database. If you're talking about something intrinsic to the molecule....I don't understand the question. $\endgroup$ – Susan Dec 1 '14 at 21:38
  • $\begingroup$ @Susan Thank you for your comment! Nebivolol is beta1 selective. Beta2 is only for side effects, but this is not clear from PubChem. $\endgroup$ – Léo Léopold Hertz 준영 Dec 1 '14 at 21:45
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    $\begingroup$ Again, if you're talking about clinical effects, I beg to differ that any particular effect or receptor activity can be labeled exclusively an effect or a side effect. For instance, the beta2 antagonism is likely responsible for the efficacy of these drugs to treat essential tremor, so your statement beta2 is only for side effects doesn't seem correct. $\endgroup$ – Susan Dec 1 '14 at 21:53
  • $\begingroup$ The information that you have shown as a snapshot of pubchem is insufficient to comment about side effects. $\endgroup$ – WYSIWYG Dec 2 '14 at 11:36

How can you differentiate between effects and side-effects of this adrenoblocker in PubChem?

I think PubChem will list all sites (receptors) at which a drug reacts, rather than the preferred sites, which I think is appropriate.

The pharmacological properties are listed in Section 8: Pharmacology and Biochemistry:

Pharmacology Bisoprolol is a competitive, cardioselective β1-adrenergic antagonist. Activation of β1-receptors (located mainly in the heart) by epinephrine increases heart rate and the blood pressure causing the heart to consume more oxygen. β1-adrenergic blocking agents such as bisopolol lower the heart rate and blood pressure and may be used to reduce workload on the heart and hence oxygen demands. They are routinely prescribed in patients with ischemic heart disease. In addition, β1-selective blockers prevent the release of renin, a hormone produced by the kidneys causes constriction of blood vessels. Bisoprolol is lipophilic and exhibits no intrinsic sympathomimetic activity (ISA) or membrane-stabilizing activity...

From this, one cal tell that if there is activity at a beta-2 receptor, it is not the major intended site.

PubChem is a valuable resource, but it's not a one-stop-shopping site. That's the reason there are extensive references given for sites of interaction. It's a great starting place for investigation of a drug.

  • $\begingroup$ Thank you for your excellent answer with details! I completely agree with you that you need to consider the pathways of interaction parallel with Pharmacological properties to understand the selectiveness. It would be great if the selective pathways would be pinpointed explicitly, and those nonselective/selective corresponding to side-effects (often only with large doses) separately. My teacher says that use SmPCs to understand better PubChem. Do you know any source which collects SmPCs in one place? $\endgroup$ – Léo Léopold Hertz 준영 Dec 2 '14 at 9:32
  • $\begingroup$ @Masi - I'm afraid I don't know what SmPCs are. :( $\endgroup$ – anongoodnurse Dec 2 '14 at 12:32
  • $\begingroup$ SmPCs are Summaries of Product Characteristics found in most packages of drugs. Here is European guideline for them ec.europa.eu/health/files/eudralex/vol-2/c/… $\endgroup$ – Léo Léopold Hertz 준영 Dec 2 '14 at 14:54
  • $\begingroup$ US is enough, since I need to follow AAMI standards in my work that means US is the best choice. Thank you for the comment! Is this the resource which you use pdr.net ? $\endgroup$ – Léo Léopold Hertz 준영 Dec 2 '14 at 17:27
  • $\begingroup$ @Masi - Yes, that's the one. Try to get your hands on a hard copy before subscribing, to make sure it will suit your needs. $\endgroup$ – anongoodnurse Dec 2 '14 at 19:26

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